N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide

C10H18N4OS — CID 43739495

IUPACN,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NCc1csnn1
InChIInChI=1S/C10H18N4OS/c1-4-14(5-2)10(15)8(3)11-6-9-7-16-13-12-9/h7-8,11H,4-6H2,1-3H3
InChIKeyZKBQIDPCEWFJBS-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.88
Rot. Bonds6

About N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide

N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide (PubChem CID 43739495) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide
PubChem CID43739495
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NCc1csnn1
InChIInChI=1S/C10H18N4OS/c1-4-14(5-2)10(15)8(3)11-6-9-7-16-13-12-9/h7-8,11H,4-6H2,1-3H3
InChIKeyZKBQIDPCEWFJBS-UHFFFAOYSA-N
XLogP0.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide?
The IUPAC name of N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide (CID 43739495) is N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide?
The canonical SMILES for N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide is CCN(CC)C(=O)C(C)NCc1csnn1.
What is the InChIKey of N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide?
The InChIKey is ZKBQIDPCEWFJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-14(5-2)10(15)8(3)11-6-9-7-16-13-12-9/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide?
N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide has a molecular weight of 242.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 43739495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).